SCHEMBL18004289

SCHEMBL18004289

N#Cc1[nH]nnc1-c1cccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.39
▸ ESRRA P11474 5/20 0.38
▸ SRD5A1 P18405 1/20 0.37
▸ NR1H2 P55055 5/20 0.37
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLQ O75417 1/20 0.35
▸ NR1H3 Q13133 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16399235 0.92 NR1H2 (0.42) NAAASRD5A1NR1H2LMNAPKM
SCHEMBL18004308 0.90 IDO1 (0.39) NAAANR1H2LMNAPKMHSD17B10
SCHEMBL18004211 0.89 ESRRA (0.36) ESRRASRD5A1SLC6A4NPC1RAB9A
SCHEMBL18006411 0.87 ABL1 (0.41) NR1H2LMNAPKMHSD17B10NPC1
SCHEMBL18004399 0.87 ESRRA (0.35) ESRRASRD5A1SLC6A4NPC1RAB9A
SCHEMBL18004446 0.87 ESRRA (0.35) ESRRASRD5A1SLC6A4NPC1RAB9A
SCHEMBL18004232 0.86 SLC6A4 (0.40) ESRRASRD5A1NR1H2SLC6A4NPC1
SCHEMBL18003993 0.85 NR4A2 (0.50) NR1H2NR1H3
SCHEMBL18004886 0.84 QPCT (0.36) NR1H2NPC1RAB9APGRAR
SCHEMBL18004884 0.83 QPCT (0.35) NR1H2LMNANPC1RAB9APGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 NAAA 1308/4885ESRRA 1413/4885SRD5A1 764/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NAAA 1308/4885ESRRA 1413/4885SRD5A1 764/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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